Visible spectrum of titanium dioxide
Literature Information
Xiujuan Zhuang, Anh Le, Timothy C. Steimle, Ramya Nagarajan, Varun Gupta, John P. Maier
The electronic spectrum in the region 17 500 cm−1 to 18 850 cm−1 of a cold molecular beam of TiO2 has been investigated using laser induced fluorescence (LIF) and mass-resolved resonance enhanced multi-photoionization (REMPI) spectroscopy. Bands at 18 412 cm−1, 18 470 cm−1 and 18 655 cm−1 were recorded at a resolution of 35 MHz, rotationally analyzed, and assigned as the Ã1B2 (0,1,2) ← 1A1 (0,0,0), Ã1B2 (1,0,0) ← 1A1 (0,0,0) and Ã1B2 (1,1,0) ← 1A1 (0,0,0) transitions. The dispersed fluorescence from the Ã1B2 (0,1,2) and Ã1B2 (1,0,0) levels were combined with previous results to produce an improved set of vibrational parameters for the 1A1 state. The optical Stark effect in the Ã1B2 (0,1,2) ← 1A1 (0,0,0) and Ã1B2 (1,0,0) ← 1A1 (0,0,0) bands were recorded and combined with earlier results for Ã1B2 (1,1,0) ← 1A1 (0,0,0) to determine the permanent electric dipole moment for these states. The origin and harmonic vibrational constants for the Ã1B2 state are determined to be: T000 = 17 593(5) cm−1, ω1 = 876(3) cm−1, ω2 = 184(1) cm−1, and ω3 = 316(2) cm−1. A normal coordinate analysis was performed and Franck–Condon factors calculated.
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











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